6557-0043 Screening compound: (4E)-6-(4-ethoxyphenyl)-8-methoxy-1,3-dimethyl-N-(3-methylphenyl)-4H-cyclohepta[c]furan-4-imine

6557-0043 Screening compound: (4E)-6-(4-ethoxyphenyl)-8-methoxy-1,3-dimethyl-N-(3-methylphenyl)-4H-cyclohepta[c]furan-4-imine
6557-0043 Screening compound: (4E)-6-(4-ethoxyphenyl)-8-methoxy-1,3-dimethyl-N-(3-methylphenyl)-4H-cyclohepta[c]furan-4-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6557-0043
(4E)-6-(4-ethoxyphenyl)-8-methoxy-1,3-dimethyl-N-(3-methylphenyl)-4H-cyclohepta[c]furan-4-imine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

6557-0043

Molecular Formula

C27H27NO3 (C27 H27 NO3)

Compound Name

(4E)-6-(4-ethoxyphenyl)-8-methoxy-1,3-dimethyl-N-(3-methylphenyl)-4H-cyclohepta[c]furan-4-imine

IUPAC name

(4E)-6-(4-ethoxyphenyl)-8-methoxy-13-dimethyl-N-(3-methylphenyl)-4H-cyclohepta[c]furan-4-imine

SMILES

CCOc(cc1)ccc1C(C=C(c1c(C)oc(C)c11)OC)=C/C1=N\c1cc(C)ccc1

InChI

InChI=1S/C27H27NO3/c1-6-30-23-12-10-20(11-13-23)21-15-24(28-22-9-7-8-17(2)14-22)26-18(3)31-19(4)27(26)25(16-21)29-5/h7-16H,6H2,1-5H3

InChI Key

VHBFQPWPGUIFDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04145571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.256

Distribution Coefficient, logD

6.256

Water Solubility, LogSw

-5.69

Polar Surface Area

30.027

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 6557-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6557-0043?
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What is the minimum amount of 6557-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6557-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6557-0043
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 6557-0043 available by request